Header list of 1am0.pdb file
Complete list - 16 20 Bytes
HEADER RNA 19-JUN-97 1AM0
TITLE AMP RNA APTAMER COMPLEX, NMR, 8 STRUCTURES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: RNA APTAMER;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES
KEYWDS COMPLEX (RIBONUCLEIC ACID-AMP), RNA APTAMER, GNRA MOTIF, G(DOT)G
KEYWDS 2 MISMATCH, G(DOT)A MISMATCH, RIBONUCLEIC ACID, RNA
EXPDTA SOLUTION NMR
NUMMDL 8
AUTHOR F.JIANG,R.A.KUMAR,R.A.JONES,D.J.PATEL
REVDAT 3 16-FEB-22 1AM0 1 REMARK
REVDAT 2 24-FEB-09 1AM0 1 VERSN
REVDAT 1 23-JUL-97 1AM0 0
SPRSDE 23-JUL-97 1AM0 1ARA
JRNL AUTH F.JIANG,R.A.KUMAR,R.A.JONES,D.J.PATEL
JRNL TITL STRUCTURAL BASIS OF RNA FOLDING AND RECOGNITION IN AN
JRNL TITL 2 AMP-RNA APTAMER COMPLEX
JRNL REF NATURE V. 382 183 1996
JRNL REFN ISSN 0028-0836
JRNL PMID 8700212
JRNL DOI 10.1038/382183A0
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH J.R.LORSCH,J.W.SZOSTAK
REMARK 1 TITL IN VITRO EVOLUTION OF NEW RIBOZYMES WITH POLYNUCLEOTIDE
REMARK 1 TITL 2 KINASE ACTIVITY
REMARK 1 REF NATURE V. 371 31 1994
REMARK 1 REFN ISSN 0028-0836
REMARK 1 REFERENCE 2
REMARK 1 AUTH M.SASSANFAR,J.W.SZOSTAK
REMARK 1 TITL AN RNA MOTIF THAT BINDS ATP
REMARK 1 REF NATURE V. 364 550 1993
REMARK 1 REFN ISSN 0028-0836
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.1
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1AM0 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000170983.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 288; 273
REMARK 210 PH : 6.7; 6.7
REMARK 210 IONIC STRENGTH : NULL; NULL
REMARK 210 PRESSURE : NULL; NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : IN D2O - NOESY; COSY; TOCSY; 2D
REMARK 210 (1)H-(31)P COSY; 2D(1)H-(13)C CT
REMARK 210 HSQC; 3D (1)H-(13)C-(1)H NOESY-
REMARK 210 HMQC; HCCH-TOCSY; HCCH-COSY.
REMARK 210 DISTANCE RESTRAINTS FROM 120 MS
REMARK 210 NOESY; 120 MS 3D NOESY-HMQC.
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 500 MHZ
REMARK 210 SPECTROMETER MODEL : UNITYPLUS
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : DISTANCE GEOMETRY AND RESTRAINED
REMARK 210 MOLECULAR DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 8
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 8
REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK: NULL
REMARK 215
REMARK 215 NMR STUDY
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION
REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON
REMARK 215 THESE RECORDS ARE MEANINGLESS.
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 465
REMARK 465 MISSING RESIDUES
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
REMARK 465 MODELS 1-8
REMARK 465 RES C SSSEQI
REMARK 465 G A 1
REMARK 465 G A 2
REMARK 465 G A 3
REMARK 465 U A 4
REMARK 465 U A 5
REMARK 465 G A 19
REMARK 465 G A 20
REMARK 465 C A 21
REMARK 465 A A 22
REMARK 465 C A 23
REMARK 465 U A 24
REMARK 465 U A 25
REMARK 465 C A 26
REMARK 465 G A 27
REMARK 465 G A 28
REMARK 465 U A 29
REMARK 465 G A 30
REMARK 465 C A 31
REMARK 465 C A 32
REMARK 465 A A 36
REMARK 465 A A 37
REMARK 465 C A 38
REMARK 465 C A 39
REMARK 465 C A 40
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
REMARK 500 H1' U A 18 O3' AMP A 41 1.52
REMARK 500 HO2' C A 15 O5' U A 16 1.53
REMARK 500 O2' C A 15 H6 U A 16 1.55
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION
REMARK 500 1 A A 9 C2' A A 9 C1' 0.067
REMARK 500 1 C A 15 C3' C A 15 C2' -0.083
REMARK 500 1 C A 15 N1 C A 15 C6 -0.044
REMARK 500 1 G A 34 C2' G A 34 C1' -0.058
REMARK 500 2 A A 9 C2' A A 9 C1' 0.072
REMARK 500 2 A A 33 C2' A A 33 C1' -0.056
REMARK 500 2 A A 33 C8 A A 33 N9 -0.059
REMARK 500 2 C A 35 N1 C A 35 C6 -0.042
REMARK 500 3 G A 34 C5' G A 34 C4' 0.077
REMARK 500 3 C A 35 N1 C A 35 C6 -0.044
REMARK 500 4 A A 10 C4' A A 10 C3' -0.060
REMARK 500 4 G A 11 C8 G A 11 N9 -0.044
REMARK 500 4 A A 13 C5' A A 13 C4' -0.060
REMARK 500 4 A A 13 N9 A A 13 C4 -0.050
REMARK 500 4 C A 15 C3' C A 15 C2' -0.074
REMARK 500 4 C A 15 N1 C A 15 C6 -0.056
REMARK 500 4 A A 33 C2' A A 33 C1' -0.056
REMARK 500 4 A A 33 C8 A A 33 N9 -0.048
REMARK 500 4 C A 35 N1 C A 35 C6 -0.041
REMARK 500 5 G A 7 C3' G A 7 C2' 0.092
REMARK 500 5 C A 15 N1 C A 15 C6 -0.044
REMARK 500 5 C A 35 N1 C A 35 C6 -0.040
REMARK 500 6 G A 7 C4' G A 7 C3' 0.069
REMARK 500 6 G A 7 C3' G A 7 C2' 0.102
REMARK 500 6 G A 7 C2' G A 7 C1' -0.056
REMARK 500 6 A A 10 C4' A A 10 C3' -0.065
REMARK 500 6 A A 12 N9 A A 12 C4 -0.041
REMARK 500 6 C A 15 C3' C A 15 C2' -0.084
REMARK 500 6 C A 15 N1 C A 15 C6 -0.044
REMARK 500 6 A A 33 C8 A A 33 N9 -0.049
REMARK 500 6 G A 34 C2' G A 34 C1' -0.053
REMARK 500 6 C A 35 N1 C A 35 C6 -0.044
REMARK 500 7 A A 9 C3' A A 9 C2' 0.071
REMARK 500 7 A A 9 C2' A A 9 C1' -0.057
REMARK 500 7 A A 9 O3' A A 9 C3' 0.097
REMARK 500 7 A A 9 O3' A A 10 P 0.100
REMARK 500 7 A A 10 C2' A A 10 C1' -0.049
REMARK 500 7 A A 14 C3' A A 14 C2' -0.073
REMARK 500 7 A A 14 N9 A A 14 C4 -0.037
REMARK 500 7 C A 15 N1 C A 15 C6 -0.039
REMARK 500 7 G A 17 C8 G A 17 N9 -0.044
REMARK 500 7 G A 34 C5' G A 34 C4' 0.088
REMARK 500 7 C A 35 N1 C A 35 C6 -0.042
REMARK 500 8 A A 9 C3' A A 9 C2' 0.115
REMARK 500 8 A A 9 C2' A A 9 C1' -0.132
REMARK 500 8 A A 14 C4 A A 14 C5 -0.044
REMARK 500 8 A A 14 C8 A A 14 N9 -0.068
REMARK 500 8 G A 34 C5' G A 34 C4' 0.085
REMARK 500 8 C A 35 N1 C A 35 C6 -0.045
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
REMARK 500 1 G A 6 C1' - O4' - C4' ANGL. DEV. = -6.2 DEGREES
REMARK 500 1 G A 7 O4' - C4' - C3' ANGL. DEV. = -9.5 DEGREES
REMARK 500 1 G A 7 C1' - O4' - C4' ANGL. DEV. = -6.7 DEGREES
REMARK 500 1 G A 8 O4' - C1' - N9 ANGL. DEV. = 6.5 DEGREES
REMARK 500 1 A A 9 C1' - O4' - C4' ANGL. DEV. = 7.0 DEGREES
REMARK 500 1 A A 9 O4' - C1' - C2' ANGL. DEV. = -10.7 DEGREES
REMARK 500 1 A A 10 N9 - C1' - C2' ANGL. DEV. = 13.9 DEGREES
REMARK 500 1 A A 10 O4' - C1' - N9 ANGL. DEV. = -6.1 DEGREES
REMARK 500 1 G A 11 O4' - C4' - C3' ANGL. DEV. = -6.8 DEGREES
REMARK 500 1 G A 11 C1' - O4' - C4' ANGL. DEV. = -8.1 DEGREES
REMARK 500 1 G A 11 C3' - C2' - C1' ANGL. DEV. = 6.2 DEGREES
REMARK 500 1 G A 11 O4' - C1' - C2' ANGL. DEV. = -17.0 DEGREES
REMARK 500 1 G A 11 O4' - C1' - N9 ANGL. DEV. = 5.0 DEGREES
REMARK 500 1 A A 12 O4' - C4' - C3' ANGL. DEV. = -13.9 DEGREES
REMARK 500 1 A A 12 C5' - C4' - C3' ANGL. DEV. = 11.2 DEGREES
REMARK 500 1 A A 12 C5' - C4' - O4' ANGL. DEV. = -9.9 DEGREES
REMARK 500 1 A A 12 C1' - O4' - C4' ANGL. DEV. = -6.9 DEGREES
REMARK 500 1 A A 12 O4' - C1' - C2' ANGL. DEV. = -19.5 DEGREES
REMARK 500 1 A A 12 O4' - C1' - N9 ANGL. DEV. = -13.0 DEGREES
REMARK 500 1 A A 13 N9 - C1' - C2' ANGL. DEV. = -8.2 DEGREES
REMARK 500 1 A A 14 O4' - C4' - C3' ANGL. DEV. = -7.2 DEGREES
REMARK 500 1 A A 14 C5' - C4' - O4' ANGL. DEV. = -7.6 DEGREES
REMARK 500 1 C A 15 O4' - C1' - C2' ANGL. DEV. = -14.4 DEGREES
REMARK 500 1 C A 15 N1 - C1' - C2' ANGL. DEV. = -7.6 DEGREES
REMARK 500 1 C A 15 O4' - C1' - N1 ANGL. DEV. = 10.2 DEGREES
REMARK 500 1 C A 15 C3' - O3' - P ANGL. DEV. = 7.7 DEGREES
REMARK 500 1 U A 16 C1' - O4' - C4' ANGL. DEV. = 5.1 DEGREES
REMARK 500 1 U A 16 O4' - C1' - C2' ANGL. DEV. = -7.5 DEGREES
REMARK 500 1 U A 16 O4' - C1' - N1 ANGL. DEV. = 10.1 DEGREES
REMARK 500 1 G A 17 O4' - C1' - N9 ANGL. DEV. = 7.2 DEGREES
REMARK 500 1 U A 18 C5' - C4' - O4' ANGL. DEV. = 7.2 DEGREES
REMARK 500 1 U A 18 C4' - C3' - C2' ANGL. DEV. = -6.6 DEGREES
REMARK 500 1 A A 33 C5' - C4' - C3' ANGL. DEV. = -11.4 DEGREES
REMARK 500 1 A A 33 C5' - C4' - O4' ANGL. DEV. = 6.7 DEGREES
REMARK 500 1 A A 33 C2' - C3' - O3' ANGL. DEV. = 11.0 DEGREES
REMARK 500 1 G A 34 O4' - C4' - C3' ANGL. DEV. = -7.0 DEGREES
REMARK 500 1 G A 34 C5' - C4' - O4' ANGL. DEV. = 17.9 DEGREES
REMARK 500 1 G A 34 C2' - C3' - O3' ANGL. DEV. = 9.9 DEGREES
REMARK 500 1 G A 34 O4' - C1' - C2' ANGL. DEV. = -15.0 DEGREES
REMARK 500 1 C A 35 C4' - C3' - C2' ANGL. DEV. = -9.1 DEGREES
REMARK 500 1 C A 35 O4' - C1' - C2' ANGL. DEV. = -7.9 DEGREES
REMARK 500 1 C A 35 O4' - C1' - N1 ANGL. DEV. = 5.2 DEGREES
REMARK 500 1 C A 35 N1 - C2 - O2 ANGL. DEV. = 3.7 DEGREES
REMARK 500 2 G A 6 C1' - O4' - C4' ANGL. DEV. = -5.1 DEGREES
REMARK 500 2 G A 6 O4' - C1' - C2' ANGL. DEV. = -6.3 DEGREES
REMARK 500 2 G A 6 N9 - C1' - C2' ANGL. DEV. = 9.7 DEGREES
REMARK 500 2 G A 7 C1' - O4' - C4' ANGL. DEV. = -9.8 DEGREES
REMARK 500 2 G A 7 O4' - C1' - C2' ANGL. DEV. = -8.7 DEGREES
REMARK 500 2 G A 8 O4' - C1' - C2' ANGL. DEV. = -6.9 DEGREES
REMARK 500 2 G A 8 O4' - C1' - N9 ANGL. DEV. = 6.8 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 409 ANGLE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE AMP A 41
DBREF 1AM0 A 1 40 PDB 1AM0 1AM0 1 40
SEQRES 1 A 40 G G G U U G G G A A G A A
SEQRES 2 A 40 A C U G U G G C A C U U C
SEQRES 3 A 40 G G U G C C A G C A A C C
SEQRES 4 A 40 C
HET AMP A 41 36
HETNAM AMP ADENOSINE MONOPHOSPHATE
FORMUL 2 AMP C10 H14 N5 O7 P
SITE 1 AC1 7 G A 8 A A 10 G A 11 A A 12
SITE 2 AC1 7 G A 17 U A 18 G A 34
CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 1.000000 0.000000 0.000000 0.00000
SCALE2 0.000000 1.000000 0.000000 0.00000
SCALE3 0.000000 0.000000 1.000000 0.00000
MODEL 1
Complete list - 16 20 Bytes